(1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one

C12H19NO2 — CID 101133007

IUPAC(1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(CNC(=O)O1)C2
InChIInChI=1S/C12H19NO2/c1-10(2)8-4-5-11(10,3)12(6-8)7-13-9(14)15-12/h8H,4-7H2,1-3H3,(H,13,14)/t8-,11-,12+/m1/s1
InChIKeyKLJQUORSPHSGHV-FXAINCCUSA-N
MW209.29 g/mol
LogP2.31
Rot. Bonds

About (1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one

(1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one (PubChem CID 101133007) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one.

Molecular Properties

Compound Name(1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
PubChem CID101133007
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(CNC(=O)O1)C2
InChIInChI=1S/C12H19NO2/c1-10(2)8-4-5-11(10,3)12(6-8)7-13-9(14)15-12/h8H,4-7H2,1-3H3,(H,13,14)/t8-,11-,12+/m1/s1
InChIKeyKLJQUORSPHSGHV-FXAINCCUSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The IUPAC name of (1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one (CID 101133007) is (1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one.
What is the SMILES notation for (1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The canonical SMILES for (1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one is CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(CNC(=O)O1)C2.
What is the InChIKey of (1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
The InChIKey is KLJQUORSPHSGHV-FXAINCCUSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(2)8-4-5-11(10,3)12(6-8)7-13-9(14)15-12/h8H,4-7H2,1-3H3,(H,13,14)/t8-,11-,12+/m1/s1.
What are the key properties of (1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one?
(1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4'R,5R)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one is sourced from PubChem (CID 101133007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).